CO and CO2 hydrogenation to methanol calculated using the BEEF-vdW functional

Catalysis Letters

Volumn 143, Issue 1, 2013, Pages 71-73

  Studt, Felix ^a   Abild Pedersen, Frank ^a   Varley, Joel B ^b   Nørskov, Jens K ^a,b  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b Stanford University   (United States)

Author keywords

Copper; Density functional theory calculations; Methanol synthesis; Reaction mechanism; van der Waals

Indexed keywords

COPPER SURFACE; DENSITY FUNCTIONAL THEORY CALCULATIONS; FUNCTIONAL YIELD; METHANOL SYNTHESIS; REACTION MECHANISM; VAN DER WAALS;

COPPER; DENSITY FUNCTIONAL THEORY; HYDROGENATION; MEATS; METHANOL; SYNTHESIS GAS MANUFACTURE; VAN DER WAALS FORCES;

CARBON DIOXIDE;

EID: 84872595808     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-012-0947-5     Document Type: Article

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